Geometry & MOs

Info

ID:	15281
PubChem CID:	435803
Reduced:	O2N3C12H17 (2)
Stoich.:	A2B3C12D17 (2)
Weight, g/mol:	470.264154
ΔH_f, kcal/mol:	-136.27
Dipole, Da:	3.36
IP(EA), eV:	-8.46(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,10-bis[(4-methylpiperazin-1-yl)methyl]-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone

Drug info:

PubChemData

Smile

CN1CCN(CC1)CN2C(=O)C3C4C=CC(C3C2=O)C5C4C(=O)N(C5=O)CN6CCN(CC6)C

DOS

IR

Vibrations